| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 4NE4MDH8HE |
| EPA CompTox | DTXSID10169213 |
Structure
| InChI Key | XBJLKXOOHLLTPG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H5Cl1N2O1 |
| Molecular Weight | 144.01 |
| AlogP | 1.14 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 35.01 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1722-10-7 |
| NORMAN SUSDAT | |
| FDA SRS | 4NE4MDH8HE |
| PubChem | 74403 |
| ChemSpider | 66995.0 |
CONTENTS
